Dear Gmx Users, I have on the HPC cluster installed Gromacs VERSION 4.6-GPU-dev-20120607-7ce3372 (called gromacs 4.6-hybrid-beta). I want to simulate chain of 80 residues in explicit solvent model using GPUs.
Has anyone simulated the system like this under this version and can advise about mdp options? I know I have to use Amber or Charmm (-nocmap), Andersen thermostat, pbc=xyz. Any other requirements? Can I use tpr file for mdrun produced by Gromacs 4.5.4? Thank you, Steven -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
